4-(4-ethoxyphenoxymethyl)benzohydrazide

• ChemBase ID: 230517
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: C(=O)(c1ccc(COc2ccc(cc2)OCC)cc1)NN
• Canonical SMILES: CCOc1ccc(cc1)OCc1ccc(cc1)C(=O)NN
• InChI: InChI=1S/C16H18N2O3/c1-2-20-14-7-9-15(10-8-14)21-11-12-3-5-13(6-4-12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19)
• InChIKey: BWHYENOLFUKVCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethoxyphenoxymethyl)benzohydrazide
• IUPAC Traditional name: 4-(4-ethoxyphenoxymethyl)benzohydrazide
• Synonyms: 4-(4-Ethoxy-phenoxymethyl)-benzoic acid hydrazide

Database IDs

• MDL Number: MFCD03148790
• PubChem SID: 164286427
• PubChem CID: 840774

CALCULATED PROPERTIES

• Acid pKa: 14.34836
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2924619
• LogD (pH = 7.4): 2.2933378
• Log P: 2.293349
• Molar Refractivity: 81.9081 cm^3
• Polarizability: 31.04886 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.57

Product Information

• Purity: 95%